Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7125264
Preview
| Coordinates | 7125264.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H21 N O6 |
|---|---|
| Calculated formula | C19 H21 N O6 |
| Title of publication | Photochromic switching behaviour of donor-acceptor Stenhouse adducts in organic solvents. |
| Authors of publication | Mallo, Neil; Brown, Patrick T.; Iranmanesh, Hasti; MacDonald, Thomas S. C.; Teusner, Matthew J.; Harper, Jason B.; Ball, Graham E.; Beves, Jonathon E. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 93 |
| Pages of publication | 13576 - 13579 |
| a | 10.2 ± 0.003 Å |
| b | 12.903 ± 0.003 Å |
| c | 14.787 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1946.1 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.2424 |
| Residual factor for significantly intense reflections | 0.0843 |
| Weighted residual factors for significantly intense reflections | 0.1451 |
| Weighted residual factors for all reflections included in the refinement | 0.2131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125264.cif |
| 234643 | 2019-11-23 | cif/ Adding structures of 7125262, 7125263, 7125264, 7125265, 7125266 via cif-deposit CGI script. |
7125264.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.